4-nitrobenzaldehyde

4-Formylnitrobenzene
4-Nitrobenzenecarboxaldehyde
Benzaldehyde, 4-nitro-
Benzaldehyde, p-nitro-
p-Formylnitrobenzene
p-nitrobenzaldehyde

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	BXRFQSNOROATLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
IUPAC name chemrof:IUPAC_name	4-nitrobenzaldehyde
Molecular formula chemrof:molecular_formula	C7H5NO3
Molecular mass chemrof:molecular_mass	151.121
Monoisotopic mass chemrof:monoisotopic_mass	151.02694, 151.026943
SMILES string chemrof:smiles_string	O=Cc1ccc([N+](=O)[O-])cc1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=555-16-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66926	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.259	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5022061	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6103	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164236	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NX859P8MB0	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246531	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.618G	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=64858	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-703	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/541	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/1650428	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19066862	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19360727	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22318956	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22803669	enrich_references.chebi_xrefs
reaxys	reaxys:386796	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q2816679	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/4-Nitrobenzaldehyde	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
3f10f518-54ef-44f7-8b9d-fcbff03d3c3a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d336b13e-5e08-42e8-8c95-e67861cc2645	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e8ac0449-361f-4d8f-bcd5-79a60cc0c4e7	Environmental → Air → Indoor	EF 3.1	kg	2
d5c1cf4e-4206-4076-bcd5-f0cc54c3fbea	Environmental → Air → Long-term	EF 3.1	kg	0
d936bc86-fe1a-4df7-86a8-8d4f55101d2e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
c89e2746-57e1-43ff-b3eb-0becf279ae04	Environmental → Air → Unknown	EF 3.1	kg	2
eadfe649-e5f0-419a-ae94-dd5ea2da47ae	Environmental → Ground → Agricultural	EF 3.1	kg	2
5982a759-76c5-4a45-9265-d42f9709f08e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
d4222ca9-9f28-4437-a13a-45ecf537293b	Environmental → Ground → Unknown	EF 3.1	kg	2
b1786236-9ccf-4cf5-b093-5a2da373eb59	Environmental → Water → Long-term	EF 3.1	kg	0
d76669eb-3c54-4602-be3d-58ce8363b168	Environmental → Water → Ocean	EF 3.1	kg	2
2f216086-7c1c-48dd-8e2f-1812a708f18f	Environmental → Water → Surface water	EF 3.1	kg	2
04db9949-0bdc-44d0-a2b4-22506e90a4b4	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

4-nitrobenzaldehyde

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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